SCHEMBL2304038

SCHEMBL2304038

Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(O)c12.Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(O)c12.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.89

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB known ✓ P10828 2/20 0.89
▸ CA2 known ✓ P00918 1/20 0.36
▸ USP2 O75604 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ENPP2 Q13822 8/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GRK2 P25098 1/20 0.41
▸ PLEC Q15149 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ APP P05067 1/20 0.38
▸ PRMT1 Q99873 2/20 0.38
▸ SUMO2 P61956 1/20 0.37
▸ SUMO1 P63165 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP2 Q9HC62 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2304007 1.00 THRB (0.89) THRBUSP2PTPN1ATML3MBTL1
SCHEMBL29833902 0.94 THRB (1.00) THRBUSP2PTPN1ATML3MBTL1
SCHEMBL2304009 0.94 THRB (1.00) THRBUSP2PTPN1ATML3MBTL1
SCHEMBL109532 0.94 THRB (1.00) THRBUSP2PTPN1ATML3MBTL1
SCHEMBL31122162 0.92 THRB (0.75) THRBENPP2MEN1KMT2APHLPP2
SCHEMBL12955080 0.92 THRB (0.75) THRBENPP2MEN1KMT2APHLPP2
SCHEMBL1755507 0.92 THRB (0.75) THRBENPP2MEN1KMT2APHLPP2
SCHEMBL2304017 0.91 THRB (0.74) THRBENPP2MEN1KMT2APHLPP2
SCHEMBL21221487 0.91 THRB (0.74) THRBENPP2MEN1KMT2APHLPP2
SCHEMBL11129981 0.88 THRB (0.78) THRBUSP2PTPN1ATML3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4750804-B2 — — 2011-08-17 — — JP claimed
JP-2008531514-A — — 2008-08-14 — — JP claimed
EP-1850664-A2 PESTICIDAL CAPSULE FORMULATION Syngeta Participations AG (CH) 2007-11-07 — — EP claimed
WO-2006089747-A2 PRESTICIDAL CAPSULE FORMULATION SYNGENTA PARTICIPATIONS AG (CH) 2006-08-31 — — WO claimed
US-20250367330-A1 OPTICAL CLEARING ENABLED BY THE KRAMERS-KRONIG RELATION UNIV LELAND STANFORD JUNIOR (US) 2025-12-04 — — US disclosed
US-9204630-B2 Capsule formulation SYNGENTA PARTICIPATIONS AG (CH) 2015-12-08 — — US disclosed
US-20100086603-A1 COMPOSITION FOR PHOTOPROTECTION SYNGENTA CROP PROTECTION, INC. (US) 2010-04-08 — — US disclosed
EP-2068626-A2 COMPOSITION FOR PHOTOPROTECTION Syngenta Limited (GB) 2009-06-17 — — EP disclosed
US-20080306026-A1 Capsule Formulation SYNGENTA CROP PROTECTION LLC 2008-12-11 — — US disclosed
WO-2008032022-A2 COMPOSITION FOR PHOTOPROTECTION SYNGENTA LIMITED (GB) 2008-03-20 — — WO disclosed
EP-1850664-A2 PESTICIDAL CAPSULE FORMULATION Syngeta Participations AG (CH) 2007-11-07 — — EP disclosed
WO-2006089747-A2 PRESTICIDAL CAPSULE FORMULATION SYNGENTA PARTICIPATIONS AG (CH) 2006-08-31 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250367330-A1 OPTICAL CLEARING ENABLED BY THE KRAMERS-KRONIG RELATION TNNC1, GYS1, MUSK THRB 4429/4885CA2 1902/4885USP2 2601/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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